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100929-89-3

100929-89-3 structural image
Product Name: 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER
Formula: C28H47NO4
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COMPUTED DESCRIPTORS

Molecular Weight 461.7 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 461.35050898 g/mol
Monoisotopic Mass 461.35050898 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 725
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Glycolithocholic acid ethyl ester is a bile acid glycine conjugate.